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	hartrees
Energy at 0K	-5158.719611
Energy at 298.15K
HF Energy	-5158.719611
Nuclear repulsion energy	336.061692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3392	3062	0.98	94.85	0.26	0.42
2	A'	639	577	7.94	8.84	0.17	0.29
3	A'	413	373	27.55	8.35	0.17	0.30
4	A'	189	171	0.24	3.14	0.53	0.69
5	A"	1298	1171	78.79	2.17	0.75	0.86
6	A"	831	750	78.09	4.82	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.845	0.000
H2	-0.417	1.827	0.000
Br3	0.005	-0.099	1.620
Br4	0.005	-0.099	-1.620

	C1	H2	Br3	Br4
C1		1.0692	1.8751	1.8751
H2	1.0692		2.5520	2.5520
Br3	1.8751	2.5520		3.2405
Br4	1.8751	2.5520	3.2405

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	117.537		H2	C1	Br4	117.537
Br3	C1	Br4	119.560

All results from a given calculation for CHBr₂ (dibromomethyl radical)

using model chemistry: HF/3-21G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.255
2	H	0.278
3	Br	-0.012
4	Br	-0.012

	x	y	z	Total
	-0.416	0.879	0.000	0.972
CHELPG
AIM
ESP

	x	y	z
x	3.235	-0.192	0.000
y	-0.192	4.550	0.000
z	0.000	0.000	8.215

<r²>	218.186
(<r²>)^1/2	14.771

All results from a given calculation for CHBr2 (dibromomethyl radical)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for CHBr₂ (dibromomethyl radical)